SCHEMBL5452645

SCHEMBL5452645

COc1ccc(C(=O)C=Cc2cccc(OC)c2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.77
MCL1 Q07820 1/20 0.74
TNFRSF1A P19438 1/20 0.64
ABCG2 Q9UNQ0 2/20 0.62
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
BCHE P06276 1/20 0.61
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
DPP4 P27487 2/20 0.60
PTPN1 P18031 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5452643 1.00 MAOB (0.77) MAOBMCL1TNFRSF1AABCG2MAPT
SCHEMBL19870465 0.90 MAOB (0.79) MAOBMCL1ABCG2MAPTLMNA
SCHEMBL5084150 0.89 MAPT (0.78) MAOBMCL1ABCG2MAPTLMNA
SCHEMBL5084154 0.89 MAPT (0.78) MAOBMCL1ABCG2MAPTLMNA
SCHEMBL5087959 0.88 MAPT (0.78) MAOBMCL1ABCG2MAPTLMNA
SCHEMBL5087949 0.88 MAPT (0.78) MAOBMCL1ABCG2MAPTLMNA
SCHEMBL5355811 0.87 MCL1 (0.76) MAOBMCL1TNFRSF1AMAPTLMNA
SCHEMBL20608569 0.87 TNFRSF1A (0.70) MAOBMCL1TNFRSF1AABCG2MAPT
SCHEMBL31676388 0.86 ALOX5 (0.78) MAOBMCL1TNFRSF1AABCG2LMNA
SCHEMBL29198484 0.82 ABCG2 (0.70) MAOBMCL1TNFRSF1AABCG2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAOB 1213/4885MCL1 3353/4885TNFRSF1A 3587/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAOB 3735/4885MCL1 3997/4885TNFRSF1A 292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.